![4-Amino-7-[2,6-dichlorobenzyl]pyrrolo[2,3-D]pyrimidine](/api/spectrum/COKOruhSgsi/structure.png?h=300&w=458 "4-Amino-7-[2,6-dichlorobenzyl]pyrrolo[2,3-D]pyrimidine")
| SpectraBase Compound ID | 1jNMa6uSqbv |
|---|---|
| InChI | InChI=1S/C13H10Cl2N4/c14-10-2-1-3-11(15)9(10)6-19-5-4-8-12(16)17-7-18-13(8)19/h1-5,7H,6H2,(H2,16,17,18) |
| InChIKey | NPKBVDNRWRHKJZ-UHFFFAOYSA-N |
| Mol Weight | 293.16 g/mol |
| Molecular Formula | C13H10Cl2N4 |
| Exact Mass | 292.028252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COKOruhSgsi |
|---|---|
| Name | 4-Amino-7-[2,6-dichlorobenzyl]pyrrolo[2,3-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.028251738 u |
| Formula | C13H10Cl2N4 |
| InChI | InChI=1S/C13H10Cl2N4/c14-10-2-1-3-11(15)9(10)6-19-5-4-8-12(16)17-7-18-13(8)19/h1-5,7H,6H2,(H2,16,17,18) |
| InChIKey | NPKBVDNRWRHKJZ-UHFFFAOYSA-N |
| Molecular Weight | 293.157 g/mol |
| SMILES | C12=C(C(=NC=N2)N)C=CN1CC1=C(C=CC=C1Cl)Cl |